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[phys/latlib.git] / hypercache.cpp

diff --git a/hypercache.cpp b/hypercache.cpp
index 7b3f4707ed29dfec3513e70aad4c08746f080456..b2a0b256f4671ac59830a4e212f1c103f866a5a7 100644 (file)
--- a/hypercache.cpp
+++ b/hypercache.cpp
@@ -7,6 +7,10 @@ string hypercache::activeCFile = "";
 vector<unsigned long> hypercache::parentConfigs;
 ostream* hypercache::log;
 vector<configcache*> hypercache::Os;
+int hypercache::NEQUI;
+int hypercache::NSKIP;
+int hypercache::nequileft;
+pair<int, char*> hypercache::mostEquilibratedConfig;
 
 void hypercache::initCache(configcache **cache,
                           const string& cacheid, const int& nequi, const int& nskip, const string& datadir, 
@@ -21,6 +25,9 @@ void hypercache::initCache(configcache **cache,
 
   for (vector<para>::iterator parit=delayedParaSet.begin(); parit != delayedParaSet.end(); ++parit)
     (*cache)->setPara(parit->parid, parit->val);
+
+  NEQUI = nequi;
+  NSKIP = nskip;
 }
 
 void hypercache::addPara(const string& parid, const double& val) {
@@ -47,6 +54,9 @@ void hypercache::setPara(const string& parid, const double& val) {
   
   for (vector<configcache*>::iterator osit = Os.begin(); osit != Os.end(); ++osit)
     (*osit)->setPara(parid, val);
+
+  nequileft = NEQUI;
+  mostEquilibratedConfig.first = NEQUI;
 }
 
 void hypercache::finalize() {
@@ -60,17 +70,80 @@ string hypercache::fileOfPath(const string& dressedfile) {
   return dressedfile.substr(dressedfile.find_last_of("\\/")+1);
 }
 
-void hypercache::readC(bool& readnewconfig, int& nequileft) {
-  C->readConfig(readnewconfig, nequileft, &parentConfigs);
+bool hypercache::readC() {
+  bool readnewconfig_nonex;
+  int nequileftReadConfig_nonex;
+  bool readAtLeastOneConfig = false;
+
+  C->readConfig(readnewconfig_nonex, nequileftReadConfig_nonex, &parentConfigs);
+
+  if (readnewconfig_nonex) {
+    nequileft = nequileftReadConfig_nonex;
+    readAtLeastOneConfig = true;
+  }
 
-  if ( nequileft < 0 )
+  if ( nequileft < 0 && readnewconfig_nonex )
     activeCFile = fileOfPath(C->getInFileName());
   else
     activeCFile = "";
+
+  /* try to find more equilibrated config-file configuration for equilibration in excluded files */
+  if ( nequileft > 0 && C->inFilesLeft() > 0 ) {
+    *log << "HYPERCACHE: Trying to find more equilibrated config in excluded files." << endl << flush;
+
+    char *tmpconfig = (char*) malloc(C->getConfigSize());
+
+    while (true) {
+      bool readnewconfig_ex;
+      int nequileftReadConfig_ex;
+
+      memcpy (tmpconfig, C->getConfigMem(), C->getConfigSize());
+      C->readConfig(readnewconfig_ex, nequileftReadConfig_ex, NULL);
+
+      if (! readnewconfig_ex) {
+       *log << "HYPERCACHE: No more excluded config-files for possible equilibration available." << endl << flush;
+       break;
+      }
+      
+      if (nequileftReadConfig_ex <= nequileft) {
+       *log << "HYPERCACHE: Found more equilibrated or same equilibrated excluded config-file configuration for equilibration." << endl << flush;
+       nequileft = nequileftReadConfig_ex;
+       readAtLeastOneConfig = true;
+      }
+      else if (nequileftReadConfig_ex > nequileft) {
+       *log << "HYPERCACHE: Excluded config-file configuration for equilibration is less equilibrated than actual config." << endl << flush;
+       memcpy (C->getConfigMem(), tmpconfig, C->getConfigSize());
+      }
+    }
+    free(tmpconfig);
+  }
+
+  /* storing most equilibrated config */
+  if ( nequileft < mostEquilibratedConfig.first && readAtLeastOneConfig ) {
+    *log << "HYPERCACHE: Storing a copy of so far most equilibrated config with nequileft = " << nequileft << endl << flush;
+    mostEquilibratedConfig.first = nequileft;
+    memcpy(mostEquilibratedConfig.second, C->getConfigMem(), C->getConfigSize());
+  }
+
+  
+  /* injecting back most equilibrated config if nothing could be used anymore */
+  if ( nequileft > 0 && mostEquilibratedConfig.first < nequileft ) {
+    *log << "HYPERCACHE: Injecting back most equilibrated stored config with nequileft = " << mostEquilibratedConfig.first << endl << flush;
+    nequileft = mostEquilibratedConfig.first;
+    memcpy(C->getConfigMem(), mostEquilibratedConfig.second, C->getConfigSize());
+    readAtLeastOneConfig = false;
+  }
+
+  return readAtLeastOneConfig;
 }
 
-void hypercache::writeC(int actnequi) {
-  C->writeConfig(actnequi);
+void hypercache::writeC() {
+  if (nequileft > 0)
+    nequileft = 0;
+
+   nequileft -= NSKIP;
+
+  C->writeConfig(NEQUI-nequileft-NSKIP);
   activeCFile = fileOfPath( C->getOutFileName().substr( 0, C->getOutFileName().length()-4 ) );
 }